3-methyl-N-[[(3E)-5-methyl-4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide

Systemtic Name: 3-methyl-N-[[(3E)-5-methyl-4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: N-[[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[[[(3E)-5-methyl-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-N-[[(3E)-5-methyl-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: N-[[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-methyl-benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=CC(=C4)C(C)C)C(=O)C(=C2)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C/C(=C\3/NC4=C(O3)C=CC(=C4)C(C)C)/C(=O)C(=C2)C

InChI

InChI=1S/C26H25N3O3S/c1-14(2)17-8-9-22-21(12-17)28-25(32-22)20-13-19(11-16(4)23(20)30)27-26(33)29-24(31)18-7-5-6-15(3)10-18/h5-14,28H,1-4H3,(H2,27,29,31,33)/b25-20+